cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron

C32H38FeNOP — CID 162295070

IUPACcyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron
SMILESC1CCCC1.C[C@@H](/N=C1\OCc2ccccc21)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C27H28NOP.C5H10.Fe/c1-20(28-27-25-16-9-8-11-21(25)19-29-27)24-17-10-18-26(24)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-2-4-5-3-1;/h2-9,11-16,20,24,26H,10,17-19H2,1H3;1-5H2;/b28-27-;;/t20-,24?,26?;;/m1../s1
InChIKeyWNZFSUFLMZRVBV-PRPWTZAMSA-N
MW539.48 g/mol
LogP7.60
Rot. Bonds5

About cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron

cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron (PubChem CID 162295070) has the molecular formula C32H38FeNOP and a molecular weight of 539.48 g/mol. Its IUPAC name is cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron.

Molecular Properties

Compound Namecyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron
PubChem CID162295070
Molecular FormulaC32H38FeNOP
Molecular Weight539.48 g/mol
Exact Mass539.20
IUPAC Namecyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron
SMILESC1CCCC1.C[C@@H](/N=C1\OCc2ccccc21)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C27H28NOP.C5H10.Fe/c1-20(28-27-25-16-9-8-11-21(25)19-29-27)24-17-10-18-26(24)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-2-4-5-3-1;/h2-9,11-16,20,24,26H,10,17-19H2,1H3;1-5H2;/b28-27-;;/t20-,24?,26?;;/m1../s1
InChIKeyWNZFSUFLMZRVBV-PRPWTZAMSA-N
XLogP7.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron?
The IUPAC name of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron (CID 162295070) is cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron.
What is the SMILES notation for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron?
The canonical SMILES for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron is C1CCCC1.C[C@@H](/N=C1\OCc2ccccc21)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe].
What is the InChIKey of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron?
The InChIKey is WNZFSUFLMZRVBV-PRPWTZAMSA-N. The full InChI is InChI=1S/C27H28NOP.C5H10.Fe/c1-20(28-27-25-16-9-8-11-21(25)19-29-27)24-17-10-18-26(24)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-2-4-5-3-1;/h2-9,11-16,20,24,26H,10,17-19H2,1H3;1-5H2;/b28-27-;;/t20-,24?,26?;;/m1../s1.
What are the key properties of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron?
cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron has a molecular weight of 539.48 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-3H-2-benzofuran-1-imine;iron is sourced from PubChem (CID 162295070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).